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89846-88-8 | 3-Cyclobutene-1,2-dione, 3-hydroxy-4-(4-morpholinyl)-
CAS No: 89846-88-8 Catalog No: AG003YQW MDL No:
Product Description
Catalog Number:
AG003YQW
Chemical Name:
3-Cyclobutene-1,2-dione, 3-hydroxy-4-(4-morpholinyl)-
CAS Number:
89846-88-8
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
IUPAC Name:
3-hydroxy-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C8H9NO4/c10-6-5(7(11)8(6)12)9-1-3-13-4-2-9/h10H,1-4H2
InChI Key:
NEPAZUYQHBIHBV-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C1=O)N1CCOCC1)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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